89N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C4 | sing | 1.51Å | 1.48Å | |
| C4 | C5 | doub | 1.31Å | 1.34Å | |
| C5 | C3 | sing | 1.51Å | 1.49Å | |
| C3 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.54Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C4 | C5 | 123.4° | 120.0° |
| C4 | C2 | O2 | 122.4° | 109.5° |
| C4 | C2 | H1 | 106.2° | 109.5° |
| C4 | C2 | H2 | 106.2° | 109.5° |
| C2 | C4 | H5 | 118.3° | 120.0° |
| C4 | C5 | C3 | 125.7° | 120.0° |
| C5 | C4 | H5 | 118.3° | 120.1° |
| C4 | C5 | H6 | 117.2° | 120.1° |
| C5 | C3 | O1 | 109.9° | 109.5° |
| C5 | C3 | H3 | 109.4° | 109.4° |
| C5 | C3 | H4 | 109.3° | 109.5° |
| C3 | C5 | H6 | 117.2° | 120.0° |
| O1 | C3 | H3 | 109.3° | 109.5° |
| O1 | C3 | H4 | 109.4° | 109.5° |
| C3 | O1 | H7 | 109.5° | 114.0° |
| O2 | C2 | H1 | 106.2° | 109.5° |
| O2 | C2 | H2 | 106.2° | 109.5° |
| C2 | O2 | H8 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C4 | C5 | H5 | 180.0° | 180.0° |
| C2 | C4 | C5 | C3 | 179.8° | 180.0° |
| C4 | C2 | O2 | H1 | 121.8° | 120.0° |
| C4 | C2 | O2 | H2 | 121.8° | 120.0° |
| C4 | C2 | H1 | H2 | 114.2° | 120.0° |
| C2 | C4 | C5 | H6 | 0.2° | 0.0° |
| C4 | C2 | O2 | H8 | 180.0° | 180.0° |
| C4 | C5 | C3 | H6 | 180.0° | 180.0° |
| C4 | C5 | C3 | O1 | 8.8° | 135.0° |
| C5 | C4 | C2 | O2 | 81.2° | 135.0° |
| C5 | C4 | C2 | H1 | 157.0° | 105.0° |
| C5 | C4 | C2 | H2 | 40.6° | 15.0° |
| C4 | C5 | C3 | H3 | 128.8° | 105.0° |
| C4 | C5 | C3 | H4 | 111.3° | 15.0° |
| C5 | C3 | O1 | H3 | 120.1° | 120.0° |
| C5 | C3 | O1 | H4 | 120.0° | 120.0° |
| C5 | C3 | H3 | H4 | 119.8° | 120.0° |
| C3 | C5 | C4 | H5 | 0.2° | 0.0° |
| C5 | C3 | O1 | H7 | 180.0° | 180.0° |
| O1 | C3 | H3 | H4 | 119.8° | 120.1° |
| O1 | C3 | C5 | H6 | 171.2° | 45.0° |
| O2 | C2 | H1 | H2 | 114.2° | 120.0° |
| O2 | C2 | C4 | H5 | 98.8° | 45.0° |
| H1 | C2 | C4 | H5 | 23.0° | 75.0° |
| H1 | C2 | O2 | H8 | 58.2° | 60.0° |
| H2 | C2 | C4 | H5 | 139.4° | 165.0° |
| H2 | C2 | O2 | H8 | 58.2° | 60.0° |
| H3 | C3 | C5 | H6 | 51.2° | 75.0° |
| H3 | C3 | O1 | H7 | 59.9° | 60.1° |
| H4 | C3 | C5 | H6 | 68.7° | 165.0° |
| H4 | C3 | O1 | H7 | 59.9° | 60.0° |
| H5 | C4 | C5 | H6 | 179.8° | NaN° |
